SCHEMBL6235075

SCHEMBL6235075

C1CCC(C2C3CC4CC(C3)CC2(C2CCCCC2)C4)CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
EPHX1 P07099 2/20 0.30
EPHX2 P34913 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL183883 0.72 LMNA (0.33) HSD11B1
Bicarbonate SCHEMBL7732897 0.68 HSD11B1 (0.36) HSD11B1EPHX1EPHX2
Bicarbonate SCHEMBL7739291 0.68 HSD11B1 (0.36) HSD11B1EPHX1EPHX2
SCHEMBL294644 0.67 EPHX1 (0.35) EPHX1EPHX2
SCHEMBL15922703 0.67 EPHX1 (0.35) EPHX1EPHX2
SCHEMBL15922722 0.64 GRIN2D (0.36) EPHX1EPHX2
SCHEMBL29200801 0.62 ALDH1A1 (0.44)
SCHEMBL28262550 0.62 GRIN2D (0.36)
SCHEMBL2191558 0.59 GRIN2D (0.36) EPHX2
SCHEMBL29012477 0.59 THRB (0.30)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556019-A2 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS Merz Pharma GmbH & Co. KGaA (DE) 2005-07-27 EP disclosed
EP-1523309-A2 NMDA RECEPTOR ANTAGONISTS AND THEIR USE IN INHIBITING ABNORMAL HYPERPHOSPHORYLATION OF MICROTUBULE ASSOCIATED PROTEIN TAU Iqbal, Khalid (US) 2005-04-20 EP disclosed
WO-2004037234-A2 COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS MERZ PHARMA GMBH & CO. KGAA (DE) 2004-05-06 WO disclosed
WO-2004009062-A2 NMDA RECEPTOR ANTAGONISTS AND THEIR USE IN INHIBITING ABNORMAL HYPERPHOSPHORYLATION OF MICROTUBULE ASSOCIATED PROTEIN tau IQBAL KHALID (US) 2004-01-29 WO disclosed
CN-1098124-C Oxidation catalyst system and process for oxidation with the same DAICEL CHEM (JP) 2003-01-08 CN disclosed
CN-1185757-A Oxidation catalyst system and oxidation process using the same DAICEL CHEM (JP) 1998-06-24 CN disclosed